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Amb2586731

Duplicate ID
Molecule Name 10-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3-(4-methoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SmilesCOc1ccc(cc1)C1CC2=C(C(=O)C1)C(c1cccs1)N(c1c(N2)cccc1)C(=O)CSc1nc2c(s1)cccc2
InchiKeyGSRZBVWUZNNIHW-UHFFFAOYSA-N
InChi InChI=1S/C33H27N3O3S3/c1-39-22-14-12-20(13-15-22)21-17-25-31(27(37)18-21)32(29-11-6-16-40-29)36(26-9-4-2-7-23(26)34-25)30(38)19-41-33-35-24-8-3-5-10-28(24)42-33/h2-16,21,32,34H,17-19H2,1H3
Formula C33H27N3O3S3
Molecular weight 609.781
Rings 7
logP 8.2623
PSA 153.31
MR 178.128
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