Azetidine-2-carboxylic acid [2-[2-ethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-amide (HCID 69745735)

기본 정보

표준 SMILES: CCC1CN(C(Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)C1CCN1
InChIKey: OOSRFQPXVWWNHH-UHFFFAOYSA-N
분자식: C33H40FN5O3
평균 분자량: 573.7 g/mol
단동위원소 질량: 573.31151832

이름 및 식별자

우선 이름: Azetidine-2-carboxylic acid [2-[2-ethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-amide
IUPAC: N-[1-[2-ethyl-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]azetidine-2-carboxamide

이름 및 동의어

SCHEMBL6336953OOSRFQPXVWWNHH-UHFFFAOYSA-Nazetidine-2-carboxylic acid [2-[2-ethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-amideazetidine-2-carboxylic acid[2-[2-ethyl-4-(1-methylcarbamoyl-2-naphthalen-2-yl-ethyl)-piperazin-1-yl]-1-(4-fluorobenzyl)-2-oxo-ethyl]-amide

데이터베이스 식별자

PubChem CID: 69745735

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 93.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 10
무거운 원자 수: 42
형식 전하: 0
복잡도: 927

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