3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(3-{[(2-hydroxy-2-phenylethyl)-(methyl)amino]methyl}phenyl)-1H-indole-7-carboxamide (HCID 16038107)

기본 정보

표준 SMILES: CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccc(CN(C)CC(O)c5ccccc5)c4)cc23)CC1
InChIKey: GCYJWELKJWOMIU-UHFFFAOYSA-N
분자식: C32H38N4O4S
평균 분자량: 574.7 g/mol

이름 및 식별자

우선 이름: 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(3-{[(2-hydroxy-2-phenylethyl)-(methyl)amino]methyl}phenyl)-1H-indole-7-carboxamide
IUPAC: 3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]phenyl]-1H-indole-7-carboxamide

이름 및 동의어

SCHEMBL552759GCYJWELKJWOMIU-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(3-{[(2-hydroxy-2-phenylethyl)-(methyl)amino]methyl}phenyl)-1H-indole-7-carboxamide3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(3{[(2-hydroxy-2-phenylethyl)-(methyl)amino]methyl}phenyl)-1H-indole-7-carboxamide

데이터베이스 식별자

PubChem CID: 16038107

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 128 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 10
무거운 원자 수: 41
형식 전하: 0
복잡도: 959

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