AC1MRRA5

N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide

Also Known As: F0772-0619|N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide|N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide|N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide

Molecular Formula	C31H31N7O6S3
Molecular Weight	693.1498 g/mol
LogP	3.9574
Topological Polar Surface Area	157.64 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	693.1498
Monoisotopic Mass	693.1498
Heavy Atoms	47
Complexity	1939.868

Chemical Identifiers

CAS Number	309968-75-0
SMILES	CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6